tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium

C24H64O8Ti2 — CID 87932046

IUPACtetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.CC(C)O.CC(C)O.CCCO.CCCO.CCCO.CCCO.[Ti].[Ti]
InChIInChI=1S/8C3H8O.2Ti/c4*1-3(2)4;4*1-2-3-4;;/h4*3-4H,1-2H3;4*4H,2-3H2,1H3;;
InChIKeyQVWRYNUQNUARFH-UHFFFAOYSA-N
MW576.50 g/mol
LogP3.10
Rot. Bonds4

About tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium

tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium (PubChem CID 87932046) has the molecular formula C24H64O8Ti2 and a molecular weight of 576.50 g/mol. Its IUPAC name is tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium.

Molecular Properties

Compound Nametetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium
PubChem CID87932046
Molecular FormulaC24H64O8Ti2
Molecular Weight576.50 g/mol
Exact Mass576.36
IUPAC Nametetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.CC(C)O.CC(C)O.CCCO.CCCO.CCCO.CCCO.[Ti].[Ti]
InChIInChI=1S/8C3H8O.2Ti/c4*1-3(2)4;4*1-2-3-4;;/h4*3-4H,1-2H3;4*4H,2-3H2,1H3;;
InChIKeyQVWRYNUQNUARFH-UHFFFAOYSA-N
XLogP3.10
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.50
LogP ≤ 53.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium?
The IUPAC name of tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium (CID 87932046) is tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium.
What is the SMILES notation for tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium?
The canonical SMILES for tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium is CC(C)O.CC(C)O.CC(C)O.CC(C)O.CCCO.CCCO.CCCO.CCCO.[Ti].[Ti].
What is the InChIKey of tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium?
The InChIKey is QVWRYNUQNUARFH-UHFFFAOYSA-N. The full InChI is InChI=1S/8C3H8O.2Ti/c4*1-3(2)4;4*1-2-3-4;;/h4*3-4H,1-2H3;4*4H,2-3H2,1H3;;.
What are the key properties of tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium?
tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium has a molecular weight of 576.50 g/mol, XLogP of 3.10, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium is sourced from PubChem (CID 87932046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).